MIB 2017 (Modeling Interactions in Biomolecules VIII)

In this topical collection (7 articles)

1. 

   Original Paper

   BODIPY for photodynamic therapy applications: computational study of the effect of bromine substitution on ¹O₂ photosensitization

   Fortuna Ponte, Gloria Mazzone, Nino Russo, Emilia Sicilia Article:183

2. Original Paper

   Application of a computational model of natural deep eutectic solvents utilizing the COSMO-RS approach for screening of solvents with high solubility of rutin

   Tomasz Jeliński, Piotr Cysewski Article:180

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3. 

   Original Paper

   A residue of motif III positions the helicase domains of motor subunit HsdR in restriction-modification enzyme EcoR124I

   Dhiraj Sinha, Vitali Bialevich, Katsiaryna Shamayeva… Article:176

4. 

   Original Paper

   On bond-critical points in QTAIM and weak interactions

   Christian R. Wick, Timothy Clark Article:142

5. 

   Original Paper

   Hydroxamic acid derivatives as histone deacetylase inhibitors: a DFT study of their tautomerism and metal affinities/selectivities

   D. Cheshmedzhieva, N. Toshev, M. Gerova, O. Petrov… Article:114

6. Original Paper

   Intermolecular interaction as a direct measure of water solubility advantage of meloxicam cocrystalized with carboxylic acids

   Piotr Cysewski Article:112

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7. 

   Original Paper

   Competition between abiogenic Al³⁺ and native Mg²⁺, Fe²⁺ and Zn²⁺ ions in protein binding sites: implications for aluminum toxicity

   Todor Dudev, Diana Cheshmedzhieva, Lyudmila Doudeva Article:55